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THE MOLECULAR-STRUCTURE OF H2S2 AND BARRIERS TO INTERNAL-ROTATION
被引:55
作者
:
DIXON, DA
论文数:
0
引用数:
0
h-index:
0
DIXON, DA
ZEROKA, D
论文数:
0
引用数:
0
h-index:
0
ZEROKA, D
WENDOLOSKI, JJ
论文数:
0
引用数:
0
h-index:
0
WENDOLOSKI, JJ
WASSERMAN, ZR
论文数:
0
引用数:
0
h-index:
0
WASSERMAN, ZR
机构
:
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1985年
/ 89卷
/ 25期
关键词
:
D O I
:
10.1021/j100271a005
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
学科分类号
:
070304 ;
081704 ;
摘要
:
引用
收藏
页码:5334 / 5336
页数:3
相关论文
共 27 条
[1]
ABINITIO STUDIES OF THE STRUCTURES OF PEROXIDES AND PEROXY-RADICALS
BAIR, RA
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BAIR, RA
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
GODDARD, WA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(10)
: 2719
-
2724
[2]
THEORETICAL-ANALYSIS OF EQUILIBRIUM GEOMETRIES AND BARRIERS OF ROTATION IN MOLECULES H2O, H25, H25E, H2TE
BLOCK, R
论文数:
0
引用数:
0
h-index:
0
BLOCK, R
JANSEN, L
论文数:
0
引用数:
0
h-index:
0
JANSEN, L
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(07)
: 3322
-
3328
[3]
LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
SAXE, P
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
[J].
PHYSICA SCRIPTA,
1980,
21
(3-4)
: 312
-
322
[4]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
: 5092
-
5106
[5]
RO-STRUCTURE AND RE-STRUCTURE OF H2O2
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TUBINGEN,INST PHYS & THEORET CHEM,D-7400 TUBINGEN 1,FED REP GER
UNIV TUBINGEN,INST PHYS & THEORET CHEM,D-7400 TUBINGEN 1,FED REP GER
CREMER, D
CHRISTEN, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TUBINGEN,INST PHYS & THEORET CHEM,D-7400 TUBINGEN 1,FED REP GER
UNIV TUBINGEN,INST PHYS & THEORET CHEM,D-7400 TUBINGEN 1,FED REP GER
CHRISTEN, D
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1979,
74
(03)
: 480
-
482
[6]
THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .1. ROLE OF BASIS SET AND CORRELATION EFFECTS IN CALCULATIONS ON HYDROGEN-PEROXIDE
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrstuhl für Theoretische Chemie, Universität Köln
CREMER, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(10)
: 4440
-
4445
[7]
Dunning T., 1977, METHODS ELECT STRUCT, P1
[8]
THEORETICAL DETERMINATION OF BARRIERS TO INTERNAL-ROTATION IN HYDROGEN-PEROXIDE
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
DUNNING, TH
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
WINTER, NW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 1847
-
1855
[9]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
RYS, J
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
RYS, J
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
: 111
-
116
[10]
Geometry and barriers to internal rotation in Hartree-Fock theory
Freed, K. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Manchester, Dept Theoret Phys, Manchester M13 9PL, Lancs, England
Univ Manchester, Dept Theoret Phys, Manchester M13 9PL, Lancs, England
Freed, K. F.
[J].
CHEMICAL PHYSICS LETTERS,
1968,
2
(04)
: 255
-
256
←
1
2
3
→
共 27 条
[1]
ABINITIO STUDIES OF THE STRUCTURES OF PEROXIDES AND PEROXY-RADICALS
BAIR, RA
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
BAIR, RA
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
GODDARD, WA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1982,
104
(10)
: 2719
-
2724
[2]
THEORETICAL-ANALYSIS OF EQUILIBRIUM GEOMETRIES AND BARRIERS OF ROTATION IN MOLECULES H2O, H25, H25E, H2TE
BLOCK, R
论文数:
0
引用数:
0
h-index:
0
BLOCK, R
JANSEN, L
论文数:
0
引用数:
0
h-index:
0
JANSEN, L
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(07)
: 3322
-
3328
[3]
LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
BROOKS, BR
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
SAXE, P
论文数:
0
引用数:
0
h-index:
0
SAXE, P
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
[J].
PHYSICA SCRIPTA,
1980,
21
(3-4)
: 312
-
322
[4]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
: 5092
-
5106
[5]
RO-STRUCTURE AND RE-STRUCTURE OF H2O2
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TUBINGEN,INST PHYS & THEORET CHEM,D-7400 TUBINGEN 1,FED REP GER
UNIV TUBINGEN,INST PHYS & THEORET CHEM,D-7400 TUBINGEN 1,FED REP GER
CREMER, D
CHRISTEN, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TUBINGEN,INST PHYS & THEORET CHEM,D-7400 TUBINGEN 1,FED REP GER
UNIV TUBINGEN,INST PHYS & THEORET CHEM,D-7400 TUBINGEN 1,FED REP GER
CHRISTEN, D
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1979,
74
(03)
: 480
-
482
[6]
THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .1. ROLE OF BASIS SET AND CORRELATION EFFECTS IN CALCULATIONS ON HYDROGEN-PEROXIDE
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
Lehrstuhl für Theoretische Chemie, Universität Köln
CREMER, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(10)
: 4440
-
4445
[7]
Dunning T., 1977, METHODS ELECT STRUCT, P1
[8]
THEORETICAL DETERMINATION OF BARRIERS TO INTERNAL-ROTATION IN HYDROGEN-PEROXIDE
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
DUNNING, TH
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
WINTER, NW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(05)
: 1847
-
1855
[9]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
RYS, J
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
RYS, J
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
: 111
-
116
[10]
Geometry and barriers to internal rotation in Hartree-Fock theory
Freed, K. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Manchester, Dept Theoret Phys, Manchester M13 9PL, Lancs, England
Univ Manchester, Dept Theoret Phys, Manchester M13 9PL, Lancs, England
Freed, K. F.
[J].
CHEMICAL PHYSICS LETTERS,
1968,
2
(04)
: 255
-
256
←
1
2
3
→